5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine

C17H17ClN6S — CID 89270026

IUPAC5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCn1nccc1CNc1ncc(Cc2c[nH]c3ncc(Cl)cc23)s1
InChIInChI=1S/C17H17ClN6S/c1-2-24-13(3-4-23-24)9-21-17-22-10-14(25-17)5-11-7-19-16-15(11)6-12(18)8-20-16/h3-4,6-8,10H,2,5,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyJZXZBOXMRXEEOQ-UHFFFAOYSA-N
MW372.89 g/mol
LogP4.09
Rot. Bonds6

About 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine

5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 89270026) has the molecular formula C17H17ClN6S and a molecular weight of 372.89 g/mol. Its IUPAC name is 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID89270026
Molecular FormulaC17H17ClN6S
Molecular Weight372.89 g/mol
Exact Mass372.09
IUPAC Name5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCn1nccc1CNc1ncc(Cc2c[nH]c3ncc(Cl)cc23)s1
InChIInChI=1S/C17H17ClN6S/c1-2-24-13(3-4-23-24)9-21-17-22-10-14(25-17)5-11-7-19-16-15(11)6-12(18)8-20-16/h3-4,6-8,10H,2,5,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyJZXZBOXMRXEEOQ-UHFFFAOYSA-N
XLogP4.09
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 89270026) is 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine is CCn1nccc1CNc1ncc(Cc2c[nH]c3ncc(Cl)cc23)s1.
What is the InChIKey of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JZXZBOXMRXEEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6S/c1-2-24-13(3-4-23-24)9-21-17-22-10-14(25-17)5-11-7-19-16-15(11)6-12(18)8-20-16/h3-4,6-8,10H,2,5,9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 372.89 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89270026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).